(9S)-9-Deoxo-9-[[[4-[(1-Oxopropyl)Amino]Phenyl]Sulfonyl]Amino]Erythromycin
[CAS# 61066-21-5]

Identification

• Name: (9S)-9-Deoxo-9-[[[4-[(1-Oxopropyl)Amino]Phenyl]Sulfonyl]Amino]Erythromycin
• Synonyms: N-[4-[[(2R,3S,4R,5S,6S,7R,9R,10R,11S,12S,13R)-10-[(2R,3S,4R,6S)-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2-Ethyl-3,4,9-Trihydroxy-12-[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-3,5,7,9,11,13-Hexamethyl-14-Oxo-1-Oxacyclotetradec-6-Yl]Sulfamoyl]Phenyl]Propanamide; N-[4-[[(2R,3S,4R,5S,6S,7R,9R,10R,11S,12S,13R)-10-[[(2R,3S,4R,6S)-4-Dimethylamino-3-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Ethyl-3,4,9-Trihydroxy-12-[[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-2-Tetrahydropyranyl]Oxy]-3,5,7,9,11,13-Hexamethyl-14-Oxo-1-Oxacyclotetradec-6-Yl]Sulfamoyl]Phenyl]Propanamide; N-[4-[[(2R,3S,4R,5S,6S,7R,9R,10R,11S,12S,13R)-10-[(2R,3S,4R,6S)-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2-Ethyl-3,4,9-Trihydroxy-12-[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-14-Keto-3,5,7,9,11,13-Hexamethyl-1-Oxacyclotetradec-6-Yl]Sulfamoyl]Phenyl]Propionamide
• Molecular Formula: C₄₆H₇₉N₃O₁₅S
• Molecular Weight: 946.20
• CAS Registry Number: 61066-21-5
• SMILES: [C@H]4(O[C@H]1O[C@H](C[C@@H](N(C)C)[C@@H]1O)C)[C@](O)(C[C@H]([C@H](N[S](=O)(=O)C2=CC=C(NC(=O)CC)C=C2)[C@@H]([C@@H](O)[C@](O)([C@H](OC(=O)[C@@H]([C@@H](O[C@@H]3O[C@H]([C@H](O)[C@](OC)(C3)C)C)[C@@H]4C)C)CC)C)C)C)C
• InChI: 1S/C46H79N3O15S/c1-15-33-46(11,56)39(52)26(5)36(48-65(57,58)31-19-17-30(18-20-31)47-34(50)16-2)24(3)22-44(9,55)41(64-43-37(51)32(49(12)13)21-25(4)60-43)27(6)38(28(7)42(54)62-33)63-35-23-45(10,59-14)40(53)29(8)61-35/h17-20,24-29,32-33,35-41,43,48,51-53,55-56H,15-16,21-23H2,1-14H3,(H,47,50)/t24-,25+,26+,27+,28-,29+,32-,33-,35+,36+,37+,38+,39-,40+,41-,43-,44-,45-,46-/m1/s1
• InChIKey: HUCNCPGRSHTEDZ-QWYMZUGOSA-N

Properties

• Density: 1.268g/cm³ (Cal.)